(5S)-5-[(4,4-difluorocyclohexyl)methyl]-5-phenyloxolan-2-one

C17H20F2O2 — CID 139051204

IUPAC(5S)-5-[(4,4-difluorocyclohexyl)methyl]-5-phenyloxolan-2-one
SMILESO=C1CC[C@](CC2CCC(F)(F)CC2)(c2ccccc2)O1
InChIInChI=1S/C17H20F2O2/c18-17(19)10-6-13(7-11-17)12-16(9-8-15(20)21-16)14-4-2-1-3-5-14/h1-5,13H,6-12H2/t16-/m0/s1
InChIKeyQFLMVIRLYKMNRL-INIZCTEOSA-N
MW294.34 g/mol
LogP4.43
Rot. Bonds3

About (5S)-5-[(4,4-difluorocyclohexyl)methyl]-5-phenyloxolan-2-one

(5S)-5-[(4,4-difluorocyclohexyl)methyl]-5-phenyloxolan-2-one (PubChem CID 139051204) has the molecular formula C17H20F2O2 and a molecular weight of 294.34 g/mol. Its IUPAC name is (5S)-5-[(4,4-difluorocyclohexyl)methyl]-5-phenyloxolan-2-one.

Molecular Properties

Compound Name(5S)-5-[(4,4-difluorocyclohexyl)methyl]-5-phenyloxolan-2-one
PubChem CID139051204
Molecular FormulaC17H20F2O2
Molecular Weight294.34 g/mol
Exact Mass294.14
IUPAC Name(5S)-5-[(4,4-difluorocyclohexyl)methyl]-5-phenyloxolan-2-one
SMILESO=C1CC[C@](CC2CCC(F)(F)CC2)(c2ccccc2)O1
InChIInChI=1S/C17H20F2O2/c18-17(19)10-6-13(7-11-17)12-16(9-8-15(20)21-16)14-4-2-1-3-5-14/h1-5,13H,6-12H2/t16-/m0/s1
InChIKeyQFLMVIRLYKMNRL-INIZCTEOSA-N
XLogP4.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

gamma-Phenyl-gamma-butyrolactone
CID 13884
5-(Iodomethyl)-3-methylidene-5-phenyloxolan-2-one
CID 11289970
5-(Bromomethyl)-5-(4-fluorophenyl)-3-methylideneoxolan-2-one
CID 148617041
5-[Bromo(phenyl)methyl]-3-methylidene-5-phenyloxolan-2-one
CID 153021469
5-(4-Fluorophenyl)-5-(iodomethyl)-3-methylideneoxolan-2-one
CID 147541433
Spiro(5H-dibenzo(a,d)cycloheptene-5,2'(5'H)-furan)-5'-one, 3',4',10,11-tetrahydro-4'-methylene-
CID 179617
4-Butyl-3-methylidene-5-phenyloxolan-2-one
CID 15646352
5-(Bromomethyl)-3-methylidene-5-[4-(trifluoromethyl)phenyl]oxolan-2-one
CID 147683506
5-(Bromomethyl)-5-(2-fluorophenyl)-3-methylideneoxolan-2-one
CID 148013348
3-Methylidene-5-phenyl-5-(phenylselanylmethyl)oxolan-2-one
CID 156014380
5-Methyl-5-phenyloxolan-2-one
CID 88864
3-Methylene-5,5-diphenyldihydro-2(3H)-furanone
CID 549456

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(4,4-difluorocyclohexyl)methyl]-5-phenyloxolan-2-one?
The IUPAC name of (5S)-5-[(4,4-difluorocyclohexyl)methyl]-5-phenyloxolan-2-one (CID 139051204) is (5S)-5-[(4,4-difluorocyclohexyl)methyl]-5-phenyloxolan-2-one.
What is the SMILES notation for (5S)-5-[(4,4-difluorocyclohexyl)methyl]-5-phenyloxolan-2-one?
The canonical SMILES for (5S)-5-[(4,4-difluorocyclohexyl)methyl]-5-phenyloxolan-2-one is O=C1CC[C@](CC2CCC(F)(F)CC2)(c2ccccc2)O1.
What is the InChIKey of (5S)-5-[(4,4-difluorocyclohexyl)methyl]-5-phenyloxolan-2-one?
The InChIKey is QFLMVIRLYKMNRL-INIZCTEOSA-N. The full InChI is InChI=1S/C17H20F2O2/c18-17(19)10-6-13(7-11-17)12-16(9-8-15(20)21-16)14-4-2-1-3-5-14/h1-5,13H,6-12H2/t16-/m0/s1.
What are the key properties of (5S)-5-[(4,4-difluorocyclohexyl)methyl]-5-phenyloxolan-2-one?
(5S)-5-[(4,4-difluorocyclohexyl)methyl]-5-phenyloxolan-2-one has a molecular weight of 294.34 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(4,4-difluorocyclohexyl)methyl]-5-phenyloxolan-2-one is sourced from PubChem (CID 139051204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).